Determination of benzene, toluene and xylene concentration in humid air using differential ion mobility spectrometry and partial least squares regression

Maziejuk, Mirosław; Szczurek, Andrzej; Maciejewska, Monika; Pietrucha, Tomasz; Szyposzyńska, Monika

doi:10.1016/j.talanta.2016.01.064

Cited by 18 publications

(9 citation statements)

References 18 publications

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“…When broader concentration ranges are involved, the method becomes less effective. In such cases other multivariate spectrum analysis techniques have to be applied, which are capable to extract the quantitative information from the spectrum in spite of concentration dependent peak allocation [9]. The problem of analyte peak position change, related to analyte concentration, was illustrated in Fig.…”

Section: Resultsmentioning

confidence: 99%

Univariate and multivariate DMS calibration for a single analyte

2019

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Differential mobility spectrometry (DMS) is a promising measurement technique. It is used in the detection of chemical warfare agents, explosives, drugs, and volatile organic compounds. The measurement principle is based on separation of gas-phase ions according to their differential mobility in alternating low and high electric fields. The DMS measurement result is a two dimensional spectrum of ion current displayed as a function of separation voltage and compensation voltage. The DMS spectral peaks, in terms of their height, location and width, are affected by gas sample composition, separation field and the gas flow rate. In this work, there is presented the calibration procedure which utilises the univariate and multivariate approach to differential ion mobility spectrum. We demonstrated the possibility of a successful retrieval of quantitative information using partial least squares regression as well as univariate linear regression. However, the multivariate approach outperformed the univariate one in terms of the quality of the model and the concentration prediction accuracy.

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Section: Resultsmentioning

confidence: 99%

Univariate and multivariate DMS calibration for a single analyte

2019

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“…The DMS chamber used to build the measuring system was made of ceramic substrates [ 32 ]. The gas was ionized with an electrode made of nickel isotope ( 63 Ni).…”

Section: Methodsmentioning

confidence: 99%

“…A variant of IMS is differential ion mobility spectrometry (DMS) [ 27 , 28 , 29 , 30 , 31 ]. In DMS, ions are distinguished because of the difference between mobilities at high and low electric fields [ 32 , 33 ]. For strong electric fields (exceeding 12 kV/cm), ion mobility depends on the applied field, and the dependence is nonlinear.…”

Section: Introductionmentioning

confidence: 99%

Detection of Triacetone Triperoxide (TATP) and Hexamethylene Triperoxide Diamine (HMTD) from the Gas Phase with Differential Ion Mobility Spectrometry (DMS)

Maziejuk

Szyposzyńska

Spławska

et al. 2021

Sensors

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One of the significant problems in the modern world is the detection of improvised explosives made of materials synthesized at home. Such compounds include triacetone triperoxide (TATP) and hexamethylene triperoxide diamine (HMTD). An attempt was made to construct an instrument allowing for the simultaneous detection of both compounds despite the large difference of vapor pressure: very high for TATP and very low for HMTD. The developed system uses differential ion mobility spectrometry (DMS) in combination with a specially designed gas sample injection system. The created system of detectors allowed for the detection of a high concentration of TATP and a very low concentration of HMTD. TATP detection was possible despite the presence of impurities—acetone remaining from the technological process and formed as a coproduct of diacetone diperoxide (DADP) synthesis. Ammonia added to the carrier gas improved the possibility of detecting the abovementioned explosives, reducing the intensity of the acetone signal. The obtained results were then compared with the detection capabilities of drift tube ion mobility spectrometer (DT-IMS), which has not made possible such detection as DMS.

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“…Regression techniques including multivariate linear regression, principal component regression (PCR), partial least squares regression (PLSR) and n-way PLSR (n-PLSR) are also frequently employed in the analysis of the IMS data 94 (see Table 3). They are routinely used in food quality and safety control analyses, 94,95 environmental analyses [96][97][98] and in process monitoring. 99 Detailed information about these chemometric techniques can be found in ref.…”

Section: Supervised Analysismentioning

confidence: 99%

Chemometrics for ion mobility spectrometry data: recent advances and future prospects

Szymańska

Davies

Buydens

2016

Analyst

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Historically, advances in the field of ion mobility spectrometry have been hindered by the variation in measured signals between instruments developed by different research laboratories or manufacturers. This has triggered the development and application of chemometric techniques able to reveal and analyze precious information content of ion mobility spectra. Recent advances in multidimensional coupling of ion mobility spectrometry to chromatography and mass spectrometry has created new, unique challenges for data processing, yielding high-dimensional, megavariate datasets. In this paper, a complete overview of available chemometric techniques used in the analysis of ion mobility spectrometry data is given. We describe the current state-of-the-art of ion mobility spectrometry data analysis comprising datasets with different complexities and two different scopes of data analysis, i.e. targeted and non-targeted analyte analyses. Two main steps of data analysis are considered: data preprocessing and pattern recognition. A detailed description of recent advances in chemometric techniques is provided for these steps, together with a list of interesting applications. We demonstrate that chemometric techniques have a significant contribution to the recent and great expansion of ion mobility spectrometry technology into different application fields. We conclude that well-thought out, comprehensive data analysis strategies are currently emerging, including several chemometric techniques and addressing different data challenges. In our opinion, this trend will continue in the near future, stimulating developments in ion mobility spectrometry instrumentation even further.

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Determination of benzene, toluene and xylene concentration in humid air using differential ion mobility spectrometry and partial least squares regression

Cited by 18 publications

References 18 publications

Univariate and multivariate DMS calibration for a single analyte

Univariate and multivariate DMS calibration for a single analyte

Detection of Triacetone Triperoxide (TATP) and Hexamethylene Triperoxide Diamine (HMTD) from the Gas Phase with Differential Ion Mobility Spectrometry (DMS)

Chemometrics for ion mobility spectrometry data: recent advances and future prospects

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